2,8-dimethyl-6,7-dihydroisoquinolin-2-ium

Name: 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄N+ — CID 144618114

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,8-dimethyl-6,7-dihydroisoquinolin-2-ium

SMILESCC1=c2c[n+](C)ccc2=CCC1

InChIInChI=1S/C11H14N/c1-9-4-3-5-10-6-7-12(2)8-11(9)10/h5-8H,3-4H2,1-2H3/q+1

InChIKeyBNMYEEHMJUYMGF-UHFFFAOYSA-N

MW160.24 g/mol

LogP0.26

Rot. Bonds

About 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium

2,8-dimethyl-6,7-dihydroisoquinolin-2-ium (PubChem CID 144618114) has the molecular formula C₁₁H₁₄N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name	2,8-dimethyl-6,7-dihydroisoquinolin-2-ium
PubChem CID	144618114
Molecular Formula	C₁₁H₁₄N+
Molecular Weight	160.24 g/mol
Exact Mass	160.11
IUPAC Name	2,8-dimethyl-6,7-dihydroisoquinolin-2-ium
SMILES	CC1=c2c[n+](C)ccc2=CCC1
InChI	InChI=1S/C11H14N/c1-9-4-3-5-10-6-7-12(2)8-11(9)10/h5-8H,3-4H2,1-2H3/q+1
InChIKey	BNMYEEHMJUYMGF-UHFFFAOYSA-N
XLogP	0.26
TPSA	3.88 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.24
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium?

The IUPAC name of 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium (CID 144618114) is 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium.

What is the SMILES notation for 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium?

The canonical SMILES for 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium is CC1=c2c[n+](C)ccc2=CCC1.

What is the InChIKey of 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium?

The InChIKey is BNMYEEHMJUYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-9-4-3-5-10-6-7-12(2)8-11(9)10/h5-8H,3-4H2,1-2H3/q+1.

What are the key properties of 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium?

2,8-dimethyl-6,7-dihydroisoquinolin-2-ium has a molecular weight of 160.24 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-6,7-dihydroisoquinolin-2-ium is sourced from PubChem (CID 144618114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 144618114 — identifiers, structure, computed properties (public domain)

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